SCHEMBL27974331

SCHEMBL27974331

CC=CC(=O)Oc1ccc(CCCc2ccc(OC(=O)C=CC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.55
THRA P10827 2/20 0.47
CALM1 P0DP23 1/20 0.44
POLB P06746 1/20 0.42
ALOX5 P09917 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
F2RL1 P55085 1/20 0.39
FFAR1 O14842 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8522278 0.89 THRB (0.68) THRBTHRAMEN1KMT2A
SCHEMBL5297320 0.89 THRB (0.68) THRBTHRAMEN1KMT2A
SCHEMBL20512328 0.88 THRB (0.68) THRBTHRAPOLBPPARAPPARG
SCHEMBL28291797 0.85 THRB (0.69) THRBTHRAPOLBELANEMEN1
SCHEMBL27795138 0.82 THRB (0.47) THRBTHRAPOLBPPARAPPARG
SCHEMBL4544929 0.79 THRB (0.74) THRBTHRAMEN1KMT2A
SCHEMBL11037915 0.79 THRB (0.74) THRBTHRAMEN1KMT2A
SCHEMBL12536627 0.79 THRB (0.74) THRBTHRAMEN1KMT2A
SCHEMBL9773374 0.79 THRB (0.74) THRBTHRAMEN1KMT2A
SCHEMBL20577757 0.79 HSD17B10 (0.46) THRBPOLBMEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101808981-B Methacrylate based monomers containing a urethane linkage, process for production and use thereof 3M INNOVATIVE PROPERTIES CO 2014-07-30 CN disclosed